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Faraday Discussions|October 7, 2016
Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor systemJacob Spencer, Laura Scalfi, Antoine Carof, et al.Chemical Reviews|April 7, 2022
Microscopic Simulations of Electrochemical Double-Layer CapacitorsGuillaume Jeanmairet, Benjamin Rotenberg, Mathieu SalanneThe Journal of Chemical Physics|September 22, 2025
Dynamic correlations in a polar fluid: Confronting stochastic density functional theory to simulationsSleeba Varghese, Pierre Illien, Benjamin RotenbergThe Journal of Chemical Physics|May 7, 2025
Quadrupolar NMR relaxation as a local probe of collective dynamics in aqueous alkaline and alkaline-earth chloride solutionsMatthieu Wolf, Iurii Chubak, Benjamin RotenbergPhysical Chemistry Chemical Physics : PCCP|August 9, 2008
Structure and dynamics of water at a clay surface from molecular dynamics simulationVirginie Marry, Benjamin Rotenberg, Pierre TurqThe Journal of Chemical Physics|April 5, 2014
Two algorithms to compute projected correlation functions in molecular dynamics simulationsAntoine Carof, Rodolphe Vuilleumier, Benjamin RotenbergPhysical Review Letters|January 29, 2025
Stochastic Density Functional Theory for Ions in a Polar SolventPierre Illien, Antoine Carof, Benjamin RotenbergThe Journal of Physical Chemistry. B|June 3, 2026
The Angular Localization Function (ALF): A Practical Tool to Measure Solvent Angular Order with Molecular Density Functional TheoryMaïwenn Souetre, Benjamin Rotenberg, Guillaume JeanmairetJournal of Chemical Theory and Computation|October 12, 2019
Scaling-Up Simulations of Diffusion in Microporous MaterialsGiovanni Pireddu, Federico G Pazzona, Pierfranco Demontis, et al.The Journal of Chemical Physics|January 25, 2013
Molecular diffusion between walls with adsorption and desorptionMaximilien Levesque, Olivier Bénichou, Benjamin RotenbergPageof 11